CID 5080434

4-deoxyphloridzin

Structural Information

Molecular Formula
C21H24O9
SMILES
C1=CC=C(C=C1)CCC(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)O)O
InChI
InChI=1S/C21H24O9/c22-10-16-18(26)19(27)20(28)21(30-16)29-15-9-12(23)8-14(25)17(15)13(24)7-6-11-4-2-1-3-5-11/h1-5,8-9,16,18-23,25-28H,6-7,10H2
InChIKey
NLGUKXQDDTZCDG-UHFFFAOYSA-N
Compound name
1-[2,4-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

420.14203 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.14931 198.0
[M+Na]+ 443.13125 207.5
[M+NH4]+ 438.17585 200.5
[M+K]+ 459.10519 205.5
[M-H]- 419.13475 199.9
[M+Na-2H]- 441.11670 199.2
[M]+ 420.14148 199.4
[M]- 420.14258 199.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.